Geometry & MOs

Info

ID:	154087
PubChem CID:	56313474
Reduced:	F3O3N5C18H24 (1)
Stoich.:	A3B3C5D18E24 (1)
Weight, g/mol:	477.198774
ΔH_f, kcal/mol:	-251.06
Dipole, Da:	5.22
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)C(=O)C(=O)N3CCCC3)C(F)(F)F

DOS

IR

Vibrations